UCSF

ZINC22935901

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 7.45 -39.06 2 3 1 29 407.17 6
Mid Mid (pH 6-8) 3.82 9.26 -117.41 3 3 2 30 408.178 6
Mid Mid (pH 6-8) 3.82 7.86 -32.01 2 3 1 26 407.17 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )